(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-methoxyphenoxy)butanoate

C17H21NO5 — CID 55306569

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-methoxyphenoxy)butanoate
SMILESCOc1ccc(OCCCC(=O)OCc2c(C)noc2C)cc1
InChIInChI=1S/C17H21NO5/c1-12-16(13(2)23-18-12)11-22-17(19)5-4-10-21-15-8-6-14(20-3)7-9-15/h6-9H,4-5,10-11H2,1-3H3
InChIKeyLFNWHTGXUBKPKM-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.20
Rot. Bonds8

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-methoxyphenoxy)butanoate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-methoxyphenoxy)butanoate (PubChem CID 55306569) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-methoxyphenoxy)butanoate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-methoxyphenoxy)butanoate
PubChem CID55306569
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-methoxyphenoxy)butanoate
SMILESCOc1ccc(OCCCC(=O)OCc2c(C)noc2C)cc1
InChIInChI=1S/C17H21NO5/c1-12-16(13(2)23-18-12)11-22-17(19)5-4-10-21-15-8-6-14(20-3)7-9-15/h6-9H,4-5,10-11H2,1-3H3
InChIKeyLFNWHTGXUBKPKM-UHFFFAOYSA-N
XLogP3.20
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenoxy)ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 5244662
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-phenylphenoxy)acetate
CID 2364688
4-[3-(4-methoxyphenoxy)propylsulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 78812277
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methoxyacetamide
CID 30796971
2-(4-methoxyphenoxy)ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate
CID 7186464
methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxybenzoate
CID 30234133
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(3,4-dimethoxyphenyl)acetate
CID 7766233
(2-amino-2-oxoethyl) 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7771114
(3-methoxyphenyl)methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 32713086
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,6-dimethoxybenzoate
CID 18074027
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone
CID 18074313
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 30177336

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-methoxyphenoxy)butanoate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-methoxyphenoxy)butanoate (CID 55306569) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-methoxyphenoxy)butanoate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-methoxyphenoxy)butanoate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-methoxyphenoxy)butanoate is COc1ccc(OCCCC(=O)OCc2c(C)noc2C)cc1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-methoxyphenoxy)butanoate?
The InChIKey is LFNWHTGXUBKPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-12-16(13(2)23-18-12)11-22-17(19)5-4-10-21-15-8-6-14(20-3)7-9-15/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-methoxyphenoxy)butanoate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-methoxyphenoxy)butanoate has a molecular weight of 319.36 g/mol, XLogP of 3.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-methoxyphenoxy)butanoate is sourced from PubChem (CID 55306569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).